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CAS No.: | 72927-99-2 |
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Name: | trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate |
Molecular Structure: | |
Formula: | C32H26 Cl N7 O11 S3 . 3 Na |
Molecular Weight: | 885.18 |
Synonyms: | 2-Anthracenesulfonicacid,1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,trisodium salt (9CI);Blue P 3R;C.I. 621526;C.I. Reactive Blue 49;CibacronBlue 3R;Cibacron Blue P 3R;Cibacron Brilliant Blue 3R-P;Helaktyn Blue D 3R;Kayacion Blue P 3R;Kayacion Blue P 3R Liquid 20;Levafix Blue PN 3R;ProcionBlue P 3R;Procion Brilliant Blue H 3R;Reactive Blue 49;Sumifix BrilliantBlue H 3R;Vertigo Blue 49; |
EINECS: | 277-040-2 |
Density: | 1.416[at 20℃] |
Solubility: | 332g/L at 20℃ |
PSA: | 331.66000 |
LogP: | 7.79350 |
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This chemical is called 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), and it can also be named as C.I. Reactive Blue 49. With the molecular formula of C32H26ClN7O11S3.3Na, its molecular weight is 885.18. The CAS registry number of this chemical is 72927-99-2.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-9-4-5-10-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-7-6-8-17(11-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3
2.Smiles: [Na+].[Na+].[Na+].c1(c(cc(c2C(c3ccccc3C(c12)=O)=O)Nc1c(c(c(c(c1C)S(=O)(=O)[O-])C)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-])N